[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate

C16H18O3 — CID 166439605

IUPAC[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate
SMILESCC(=O)O[C@@H](c1ccc(C(C)C)cc1)c1ccco1
InChIInChI=1S/C16H18O3/c1-11(2)13-6-8-14(9-7-13)16(19-12(3)17)15-5-4-10-18-15/h4-11,16H,1-3H3/t16-/m0/s1
InChIKeyYCCVGOMLPYEFAR-INIZCTEOSA-N
MW258.32 g/mol
LogP4.06
Rot. Bonds4

About [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate

[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate (PubChem CID 166439605) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate.

Molecular Properties

Compound Name[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate
PubChem CID166439605
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate
SMILESCC(=O)O[C@@H](c1ccc(C(C)C)cc1)c1ccco1
InChIInChI=1S/C16H18O3/c1-11(2)13-6-8-14(9-7-13)16(19-12(3)17)15-5-4-10-18-15/h4-11,16H,1-3H3/t16-/m0/s1
InChIKeyYCCVGOMLPYEFAR-INIZCTEOSA-N
XLogP4.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(S)-(4-propan-2-ylphenyl)-pyridin-3-ylmethyl] acetate
CID 166439139
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
2-[bromo-(4-propan-2-ylphenyl)methyl]furan
CID 63443544
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
benzhydryl acetate;hydrazine
CID 122610283
[(S)-(4-methylphenyl)-phenylmethyl] acetate
CID 40534934
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
ethyl 3-acetyloxy-3-(furan-2-yl)propanoate
CID 13173231
1-(4-propan-2-ylphenyl)prop-2-enyl acetate
CID 169084542
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 110889182
4-(furan-2-yl)-4-hydroxy-3-methylbutan-2-one
CID 14223499
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009

Frequently Asked Questions

What is the IUPAC name of [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate?
The IUPAC name of [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate (CID 166439605) is [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate.
What is the SMILES notation for [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate?
The canonical SMILES for [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate is CC(=O)O[C@@H](c1ccc(C(C)C)cc1)c1ccco1.
What is the InChIKey of [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate?
The InChIKey is YCCVGOMLPYEFAR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18O3/c1-11(2)13-6-8-14(9-7-13)16(19-12(3)17)15-5-4-10-18-15/h4-11,16H,1-3H3/t16-/m0/s1.
What are the key properties of [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate?
[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate has a molecular weight of 258.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate is sourced from PubChem (CID 166439605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).